SCHEMBL6604599

SCHEMBL6604599

C=CCc1c(C#N)cc2ccccc2c1C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.42
POLB P06746 1/20 0.39
ALDH1A1 P00352 6/20 0.39
TDP1 Q9NUW8 2/20 0.39
NCEH1 Q6PIU2 1/20 0.38
KDM5A P29375 1/20 0.38
HPGD P15428 5/20 0.38
KDM4E B2RXH2 5/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CRHBP P24387 2/20 0.38
CRHR2 Q13324 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRK6 P43250 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CASP1 P29466 1/20 0.36
AR P10275 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6603195 0.85 POLB (0.42) POLBALDH1A1TDP1NCEH1KDM5A
SCHEMBL6508770 0.84 POLB (0.41) POLBALDH1A1TDP1NCEH1KDM5A
SCHEMBL6608041 0.82 POLB (0.40) POLBALDH1A1TDP1NCEH1KDM5A
SCHEMBL6603719 0.81 NCEH1 (0.40) ALOX5POLBALDH1A1TDP1NCEH1
SCHEMBL4676934 0.78 MEN1 (0.45) POLBALDH1A1TDP1NCEH1KDM5A
SCHEMBL10699646 0.78 NCEH1 (0.44) POLBALDH1A1TDP1NCEH1KDM5A
SCHEMBL6510652 0.78 NCEH1 (0.44) POLBALDH1A1TDP1NCEH1KDM5A
SCHEMBL6229441 0.77 ALDH1A1 (0.52) POLBALDH1A1NCEH1KDM5AHPGD
SCHEMBL6607592 0.76 NCEH1 (0.40) POLBALDH1A1TDP1NCEH1KDM5A
SCHEMBL6603583 0.76 ALDH1A1 (0.42) POLBALDH1A1TDP1NCEH1KDM5A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119551-B1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2004-12-29 EP disclosed
EP-1433783-A2 Naphthalenecarboxamides as tachykinin receptor antagonists AstraZeneca AB (SE) 2004-06-30 EP disclosed
EP-1119551-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2001-08-01 EP disclosed
WO-2000020389-A1 NAPHTHALENECARBOXAMIDES AS TACHYKININ RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2000-04-13 WO disclosed